Chem
J-GLOBAL ID：200907047717715930
Nikkaji number：J1.418.381G
2,2,5-Triphenyl-4-cyclohexyl-6-oxo-1,3-dioxa-4-aza-2-bora(IV)-4-cyclohexene-4-ium
2,2,5-トリフェニル-4-シクロヘキシル-6-オキソ-1,3-ジオキサ-4-アザ-2-ボラ(IV)-4-シクロヘキセン-4-イウム
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H26B[N+]O3
Molecular formula furigana： C26-H26-B-N-O3
Molecular weight： 411.310
InChI：
InChI=1S/C26H26BNO3/c29-26-25(21-13-5-1-6-14-21)28(24-19-11-4-12-20-24)31-27(30-26,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q+1
InChI key：
YKHDXPVDPFSDKF-UHFFFAOYSA-N
SMILES：
O=C1O[B](O[N+](=C1c1ccccc1)C1CCCCC1)(c1ccccc1)c1ccccc1
Systematic name (3)：
- 2,2,5-トリフェニル-4-シクロヘキシル-6-オキソ-1,3-ジオキサ-4-アザ-2-ボラ(IV)-4-シクロヘキセン-4-イウム
- 4-シクロヘキシル-6-オキソ-2,2,5-トリフェニル-2,6-ジヒドロ-1,3,4λ5,2λ4-ジオキサザボリニン-4-イリウム
- 4-cyclohexyl-6-oxo-2,2,5-triphenyl-2,6-dihydro-1,3,4λ5,2λ4-dioxazaborinin-4-ylium
- 2,2,5-Triphenyl-4-cyclohexyl-6-oxo-1,3-dioxa-4-aza-2-bora(IV)-4-cyclohexene-4-ium
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